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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	³B₁
2	1	yes	C2V	¹A₁

	hartrees
Energy at 0K	-38.927176
Energy at 298.15K	-38.927000
HF Energy	-38.927176
Nuclear repulsion energy	6.147373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3003	1.02
2	A₁	1200	1100	5.97
3	B₂	3495	3202	0.22

Atom	y (Å)	z (Å)
C1	0.000	0.111
H2	0.985	-0.333
H3	-0.985	-0.333

	C1	H2	H3
C1		1.0802	1.0802
H2	1.0802		1.9691
H3	1.0802	1.9691

All results from a given calculation for CH₂ (Methylene)

using model chemistry: HF/cc-pCVDZ

States and conformations

State 1 (³B₁)

State 2 (¹A₁)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-38.881409
Energy at 298.15K	-38.881249
HF Energy	-38.881409
Nuclear repulsion energy	6.045848

Number	Element	Mulliken
1	C	-0.166
2	H	0.083
3	H	0.083

	x	y	z	Total
	0.000	0.000	-0.564	0.564
CHELPG
AIM
ESP

<r²>	6.694
(<r²>)^1/2	2.587

	C1	H2	H3
C1		1.1063	1.1063
H2	1.1063		1.7291
H3	1.1063	1.7291

All results from a given calculation for CH2 (Methylene)

using model chemistry: HF/cc-pCVDZ

States and conformations

State 1 (3B1)

State 2 (1A1)

All results from a given calculation for CH₂ (Methylene)

State 1 (³B₁)

State 2 (¹A₁)